(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate CAS Name: 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylsulfamoyl]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoate Traditional Name: 2-chloro-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-sulfamoyl]benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C25H27ClN4O6S MolecularWeight: 547.02308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)N4CCCC4

InChI

InChI=1S/C25H27ClN4O6S/c1-17-23(24(32)30(27(17)2)18-9-5-4-6-10-18)28(3)37(34,35)19-11-12-21(26)20(15-19)25(33)36-16-22(31)29-13-7-8-14-29/h4-6,9-12,15H,7-8,13-14,16H2,1-3H3